Fig. 3
From: Rh single atoms on TiO2 dynamically respond to reaction conditions by adapting their site
Surface stability diagram for Rh single atom on TiO2(110) in the presence of H2. Axes represent the H and O chemical potentials (noted ∆µ(H) and ∆µ(O) in eV). Different colors indicate the various configurations for the Rh and the TiO2 surface, where blue, light blue, and green denote regions where Rh is preferentially substituting a six-coordinated surface Ti with zero, one, or two O vacancies (Rh1@TiO2, Rh1@TiO2 – x, Rh1@TiO2 −2×) and orange and pink zones where the supported Rh structure is favored (Rh1/TiO2−x and Rh1/TiO2−2×), respectively. The amount of hydrogen adsorbed on the TiO2 surface and the Rh atom depends on ∆µ(H) and dash lines limit the zones corresponding to different hydrogen coverage (see Supplementary Fig. 6). The red triangle (blue square) line shows the relation between Δμ(O) and Δμ(H) when water formation reaction is included with 0.01% (0.001%) conversion. Δμ(H) values for 0.1 atm H2 and various temperatures are shown on the right vertical axis
